[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [2-(2-methoxyphenyl)thiazol-4-yl]methyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-(2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-(2-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C21H18ClNO5S MolecularWeight: 431.88932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=CS2)COC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=CS2)COC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H18ClNO5S/c1-25-17-6-3-2-5-15(17)20-23-14(12-29-20)11-28-21(24)13-9-16(22)19-18(10-13)26-7-4-8-27-19/h2-3,5-6,9-10,12H,4,7-8,11H2,1H3